[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N5CCOCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C27H31N3O4S/c31-25(28-19-27(10-4-1-5-11-27)30-12-14-33-15-13-30)18-34-26(32)21-17-23(24-9-6-16-35-24)29-22-8-3-2-7-20(21)22/h2-3,6-9,16-17H,1,4-5,10-15,18-19H2,(H,28,31)